Chemical Components in the PDB

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Y0C : Summary

Code

Y0C

One-letter code

X

Molecule name

(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
OpenEye OEToolkits 2.0.7 (2~{S})-2-(2-fluorophenyl)-1,3-thiazolidin-4-one

Formula

C9 H8 F N O S

Formal charge

0

Molecular weight

197.229 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1NC(SC1)c1ccccc1F
SMILES CACTVS 3.385 Fc1ccccc1[CH]2NC(=O)CS2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)C2NC(=O)CS2)F
Canonical SMILES CACTVS 3.385 Fc1ccccc1[C@H]2NC(=O)CS2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)[C@H]2NC(=O)CS2)F

IUPAC InChI

InChI=1S/C9H8FNOS/c10-7-4-2-1-3-6(7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)/t9-/m0/s1

IUPAC InChI key

USKNAFOXSLXIOT-VIFPVBQESA-N
Y0C

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-11-14

Last modified at

2024-02-09

Status

Released

Obsoleted

Not Assigned